3-[(3-methyloxetan-3-yl)methylsulfamoyl]-N-(2-methylphenyl)benzamide

C19H22N2O4S — CID 72858763

IUPAC3-[(3-methyloxetan-3-yl)methylsulfamoyl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCC2(C)COC2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-6-3-4-9-17(14)21-18(22)15-7-5-8-16(10-15)26(23,24)20-11-19(2)12-25-13-19/h3-10,20H,11-13H2,1-2H3,(H,21,22)
InChIKeyPEIOTFOEEWKISI-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.56
Rot. Bonds6

About 3-[(3-methyloxetan-3-yl)methylsulfamoyl]-N-(2-methylphenyl)benzamide

3-[(3-methyloxetan-3-yl)methylsulfamoyl]-N-(2-methylphenyl)benzamide (PubChem CID 72858763) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-[(3-methyloxetan-3-yl)methylsulfamoyl]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(3-methyloxetan-3-yl)methylsulfamoyl]-N-(2-methylphenyl)benzamide
PubChem CID72858763
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-[(3-methyloxetan-3-yl)methylsulfamoyl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCC2(C)COC2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-6-3-4-9-17(14)21-18(22)15-7-5-8-16(10-15)26(23,24)20-11-19(2)12-25-13-19/h3-10,20H,11-13H2,1-2H3,(H,21,22)
InChIKeyPEIOTFOEEWKISI-UHFFFAOYSA-N
XLogP2.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyloxetan-3-yl)methylsulfamoyl]-N-(2-methylphenyl)benzamide?
The IUPAC name of 3-[(3-methyloxetan-3-yl)methylsulfamoyl]-N-(2-methylphenyl)benzamide (CID 72858763) is 3-[(3-methyloxetan-3-yl)methylsulfamoyl]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3-[(3-methyloxetan-3-yl)methylsulfamoyl]-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3-[(3-methyloxetan-3-yl)methylsulfamoyl]-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCC2(C)COC2)c1.
What is the InChIKey of 3-[(3-methyloxetan-3-yl)methylsulfamoyl]-N-(2-methylphenyl)benzamide?
The InChIKey is PEIOTFOEEWKISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-6-3-4-9-17(14)21-18(22)15-7-5-8-16(10-15)26(23,24)20-11-19(2)12-25-13-19/h3-10,20H,11-13H2,1-2H3,(H,21,22).
What are the key properties of 3-[(3-methyloxetan-3-yl)methylsulfamoyl]-N-(2-methylphenyl)benzamide?
3-[(3-methyloxetan-3-yl)methylsulfamoyl]-N-(2-methylphenyl)benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyloxetan-3-yl)methylsulfamoyl]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 72858763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).